ethyl 3-(naphthalen-1-ylmethylsulfanyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enoate

Systemtic Name: ethyl 3-(naphthalen-1-ylmethylsulfanyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enoate Openeye Name: ethyl 3-(1-naphthylmethylsulfanyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enoate CAS Name: 3-mercapto-3-(1-naphthalenylmethylthio)-2-(1-pyridin-1-iumyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl 3-(naphthalen-1-ylmethylsulfanyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-enoate Traditional Name: 3-mercapto-3-(1-naphthylmethylthio)-2-pyridin-1-ium-1-yl-acrylic acid ethyl ester Formula: C21H20NO2S2+ MolecularWeight: 382.519

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(S)SCC1=CC=CC2=CC=CC=C21)[N+]3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(=C(S)SCC1=CC=CC2=CC=CC=C21)[N+]3=CC=CC=C3

InChI

InChI=1S/C21H19NO2S2/c1-2-24-20(23)19(22-13-6-3-7-14-22)21(25)26-15-17-11-8-10-16-9-4-5-12-18(16)17/h3-14H,2,15H2,1H3/p+1